Spektraris NMR
7-[(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-3',5-dihydroxy-4'-methoxyflavone
![7-[(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-3',5-dihydroxy-4'-methoxyflavone](/nmr/static/nmr/svg/4044.svg)
Common Name: 7-[(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-3',5-dihydroxy-4'-methoxyflavone
Synonyms: 7-[(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-3',5-dihydroxy-4'-methoxyflavone
CAS Registry Number:
InChI: InChI=1S/C27H30O15/c1-37-16-3-2-10(4-12(16)28)17-7-14(30)20-13(29)5-11(6-18(20)41-17)40-27-25(36)23(34)22(33)19(42-27)9-39-26-24(35)21(32)15(31)8-38-26/h2-7,15,19,21-29,31-36H,8-9H2,1H3/t15-,19-,21+,22-,23+,24-,25-,26+,27-/m1/s1
InChIKey: InChIKey=IXWDYBPIGZKUPJ-MUCJXJSVSA-N
Formula: C27H30O15
Molecular Weight: 594.519166
Exact Mass: 594.15847
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Mitchell K.A., Markham K.R., Bayly M.J. Phytochemistry (2001) 56, 453-61
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 164.2 |
| 3 (CH) | 103.9 |
| 4 (C) | 182 |
| 5 (C) | 161.2 |
| 6 (CH) | 99.7 |
| 7 (C) | 163 |
| 8 (CH) | 94.9 |
| 9 (C) | 157 |
| 10 (C) | 105.5 |
| 1' (C) | 123 |
| 2' (CH) | 113.2 |
| 3' (C) | 146.8 |
| 4' (C) | 151.4 |
| 5' (CH) | 112.3 |
| 6' (CH) | 119 |
| 1'' (CH) | 100 |
| 2'' (CH) | 73.1 |
| 3'' (CH) | 76.3 |
| 4'' (CH) | 69.4 |
| 5'' (CH) | 75.7 |
| 6'' (CH2) | 68.5 |
| 1''' (CH) | 104.2 |
| 2''' (CH) | 73.4 |
| 3''' (CH) | 76.5 |
| 4''' (CH) | 69.5 |
| 5''' (CH2) | 65.6 |
| 4'a (CH3) | 55.9 |
